2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene

C11H9F3S — CID 155395501

IUPAC2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene
SMILESCc1cc2c(s1)C=C(C(F)(F)F)CC=C2
InChIInChI=1S/C11H9F3S/c1-7-5-8-3-2-4-9(11(12,13)14)6-10(8)15-7/h2-3,5-6H,4H2,1H3
InChIKeyGCXJPPHJQLFXDZ-UHFFFAOYSA-N
MW230.25 g/mol
LogP4.42
Rot. Bonds

About 2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene

2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene (PubChem CID 155395501) has the molecular formula C11H9F3S and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene.

Molecular Properties

Compound Name2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene
PubChem CID155395501
Molecular FormulaC11H9F3S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC Name2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene
SMILESCc1cc2c(s1)C=C(C(F)(F)F)CC=C2
InChIInChI=1S/C11H9F3S/c1-7-5-8-3-2-4-9(11(12,13)14)6-10(8)15-7/h2-3,5-6H,4H2,1H3
InChIKeyGCXJPPHJQLFXDZ-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene?
The IUPAC name of 2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene (CID 155395501) is 2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene.
What is the SMILES notation for 2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene?
The canonical SMILES for 2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene is Cc1cc2c(s1)C=C(C(F)(F)F)CC=C2.
What is the InChIKey of 2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene?
The InChIKey is GCXJPPHJQLFXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3S/c1-7-5-8-3-2-4-9(11(12,13)14)6-10(8)15-7/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene?
2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene has a molecular weight of 230.25 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethyl)-6H-cyclohepta[b]thiophene is sourced from PubChem (CID 155395501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).